4-(5,7-ditert-butyl-6-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(5,7-ditert-butyl-6-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(5,7-ditert-butyl-6-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-(5,7-ditert-butyl-6-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5,7-ditert-butyl-6-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(5,7-ditert-butyl-6-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=C(C(=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4)N=C1C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(=C(C(=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4)N=C1C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C27H31N3O/c1-17-23(26(2,3)4)28-25-21(18-11-9-8-10-12-18)22(19-13-15-20(31)16-14-19)29-30(25)24(17)27(5,6)7/h8-16,29H,1-7H3